ChemSpider 2D Image | 7-[(2R,4S)-4-Amino-2-methyl-1-pyrrolidinyl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid | C21H18F3N3O3

7-[(2R,4S)-4-Amino-2-methyl-1-pyrrolidinyl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

  • Molecular FormulaC21H18F3N3O3
  • Average mass417.381 Da
  • Monoisotopic mass417.130035 Da
  • ChemSpider ID23137290

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-Quinolinecarboxylic acid, 7-[(2R,4S)-4-amino-2-methyl-1-pyrrolidinyl]-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo- [ACD/Index Name]
7-[(2R,4S)-4-Amino-2-methyl-1-pyrrolidinyl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid [ACD/IUPAC Name]
7-[(2R,4S)-4-Amino-2-methyl-1-pyrrolidinyl]-1-(2,4-difluorphenyl)-6-fluor-4-oxo-1,4-dihydro-3-chinolincarbonsäure [German] [ACD/IUPAC Name]
Acide 7-[(2R,4S)-4-amino-2-méthyl-1-pyrrolidinyl]-1-(2,4-difluorophényl)-6-fluoro-4-oxo-1,4-dihydro-3-quinoléinecarboxylique [French] [ACD/IUPAC Name]
7-(4-Amino-2-methyl-pyrrolidin-1-yl)-1-(2,4-difluoro-phenyl)-6-fluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid
7-[(2R,4S)-4-amino-2-methylpyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 600.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 316.9±31.5 °C
Index of Refraction: 1.621
Molar Refractivity: 100.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): -2.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 57.2±3.0 dyne/cm
Molar Volume: 286.3±3.0 cm3

Click to predict properties on the Chemicalize site


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